Geometry & MOs

Info

ID:	205455
PubChem CID:	80105379
Reduced:	ClOC15H15 (1)
Stoich.:	ABC15D15 (1)
Weight, g/mol:	242.06128
ΔH_f, kcal/mol:	-22.28
Dipole, Da:	0.98
IP(EA), eV:	-8.91(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3-hydroxyphenyl)methylsulfinyl]butanoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(CCC2=CC=C(C=C2)O)Cl

DOS

IR

Vibrations